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5-Chloro-15-formyl-2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine

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5-Chloro-15-formyl-2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine
SpectraBase Compound ID G88yzoLVocZ
InChI InChI=1S/C37H45ClN4O/c1-9-20-24(13-5)34-28(19-43)35-25(14-6)21(10-2)30(40-35)18-32-23(12-4)27(16-8)37(42-32)33(38)36-26(15-7)22(11-3)31(41-36)17-29(20)39-34/h17-19,39,42H,9-16H2,1-8H3/b29-17-,30-18-,31-17-,32-18-,34-28-,35-28-,36-33+,37-33+
InChIKey SRPJRWMNMALJRD-QKYXWGOMSA-N
Mol Weight 597.2 g/mol
Molecular Formula C37H45ClN4O
Exact Mass 596.32819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIAHxpdv5Ub
Name 5-Chloro-15-formyl-2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 596.328189784 u
Formula C37H45ClN4O
InChI InChI=1S/C37H45ClN4O/c1-9-20-24(13-5)34-28(19-43)35-25(14-6)21(10-2)30(40-35)18-32-23(12-4)27(16-8)37(42-32)33(38)36-26(15-7)22(11-3)31(41-36)17-29(20)39-34/h17-19,39,42H,9-16H2,1-8H3/b29-17-,30-18-,31-17-,32-18-,34-28-,35-28-,36-33+,37-33+
InChIKey SRPJRWMNMALJRD-QKYXWGOMSA-N
Molecular Weight 597.247 g/mol
SMILES C1=2NC(=C(C3=NC(=CC4=C(C(=C(C(=C5N=C(C2)C(=C5CC)CC)C=O)N4)CC)CC)C(=C3CC)CC)Cl)C(=C1CC)CC